4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL]BENZOIC ACID METHYL ESTER

CAS No.
155405-80-4
CCD No.
CCD01273480
Formula
C16 H16 N4 O3
MolWeight
312.327

Basic Information

Product Name: 4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL]BENZOIC ACID METHYL ESTER
CAS: 155405-80-4
English Synonyms: 4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL]BENZOIC ACID METHYL ESTER ; METHYL 4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL)BENZOATE ; 4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL] METHYL BENZOATE
MDL Number.: MFCD11846227
H bond acceptor: 7
H bond donor: 3
Smile: COC(=O)c1ccc(cc1)CCc2c[nH]c3c2c(=O)nc([nH]3)N
InChi: InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)
InChiKey: InChIKey=GDEKSBCRJKAARB-UHFFFAOYSA-N

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